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Thermal fluctuations in a lamellar phase of a binary amphiphile-solvent mixture: A molecular-dynamics study

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http://pubman.mpdl.mpg.de/cone/persons/resource/persons48343

Loison,  C.
MPI for Polymer Research, Max Planck Society;

http://pubman.mpdl.mpg.de/cone/persons/resource/persons48227

Kremer,  Kurt
MPI for Polymer Research, Max Planck Society;

http://pubman.mpdl.mpg.de/cone/persons/resource/persons48709

Schmid,  F.
MPI for Polymer Research, Max Planck Society;

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Citation

Loison, C., Mareschal, M., Kremer, K., & Schmid, F. (2003). Thermal fluctuations in a lamellar phase of a binary amphiphile-solvent mixture: A molecular-dynamics study. Journal of Chemical Physics, 119(24), 13138-13148.


Cite as: http://hdl.handle.net/11858/00-001M-0000-000F-63DB-4
Abstract
We investigate thermal fluctuations in a smectic A phase of an amphiphile–solvent mixture with molecular-dynamics simulations. We use an idealized model system, where solvent particles are represented by simple beads, and amphiphiles by bead-and-spring tetramers. At a solvent bead fraction of 20% and sufficiently low temperature, the amphiphiles self-assemble into a highly oriented lamellar phase. Our study aims at comparing the structure of this phase with the predictions of the elastic theory of thermally fluctuating fluid membrane stacks [Lei et al., J. Phys. II 5, 1155 (1995)]. We suggest a method which permits to calculate the bending rigidity and compressibility modulus of the lamellar stack from the simulation data. The simulation results are in reasonable agreement with the theory. ©2003 American Institute of Physics.